N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C28H32F3N5O4 — CID 75582836

IUPACN-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccccc1C(=O)N1CCN(C(=O)CN2CCC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-19-5-2-3-8-23(19)27(40)36-13-11-35(12-14-36)25(38)18-34-10-9-22(17-34)33-24(37)16-32-26(39)20-6-4-7-21(15-20)28(29,30)31/h2-8,15,22H,9-14,16-18H2,1H3,(H,32,39)(H,33,37)
InChIKeyYTALPYVHWSLYPI-UHFFFAOYSA-N
MW559.59 g/mol
LogP1.92
Rot. Bonds7

About N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 75582836) has the molecular formula C28H32F3N5O4 and a molecular weight of 559.59 g/mol. Its IUPAC name is N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID75582836
Molecular FormulaC28H32F3N5O4
Molecular Weight559.59 g/mol
Exact Mass559.24
IUPAC NameN-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccccc1C(=O)N1CCN(C(=O)CN2CCC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-19-5-2-3-8-23(19)27(40)36-13-11-35(12-14-36)25(38)18-34-10-9-22(17-34)33-24(37)16-32-26(39)20-6-4-7-21(15-20)28(29,30)31/h2-8,15,22H,9-14,16-18H2,1H3,(H,32,39)(H,33,37)
InChIKeyYTALPYVHWSLYPI-UHFFFAOYSA-N
XLogP1.92
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.59
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[[(3R)-1-[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 46842235
N-[2-[[1-[(4-butylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 18426147
N-[2-[[(3R)-1-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46842382
N-[2-[[(3R)-1-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46842233
N-[2-[[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 508741
N-(4-chlorophenyl)-4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 50925073
N-[2-oxo-2-[[(3R)-1-[2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 46840540
N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-[2-oxo-2-[[1-(2-oxo-2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 68752385
N-[2-[[(3R)-1-[1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]azepan-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68570723
N-[2-[[1-[2-(4-benzoylpiperazin-1-yl)-2-methylpropyl]pyrrolidin-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68776942

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 75582836) is N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is Cc1ccccc1C(=O)N1CCN(C(=O)CN2CCC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YTALPYVHWSLYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4/c1-19-5-2-3-8-23(19)27(40)36-13-11-35(12-14-36)25(38)18-34-10-9-22(17-34)33-24(37)16-32-26(39)20-6-4-7-21(15-20)28(29,30)31/h2-8,15,22H,9-14,16-18H2,1H3,(H,32,39)(H,33,37).
What are the key properties of N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 559.59 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 75582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).